CID 215060

Cis-2-methyl-2-(p-isopropylphenyl)-4-carbamoyloxymethyl-1,3-dioxolane

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(C)C1=CC=C(C=C1)[C@]2(OC[C@H](O2)N(CO)C=O)C
InChI
InChI=1S/C15H21NO4/c1-11(2)12-4-6-13(7-5-12)15(3)19-8-14(20-15)16(9-17)10-18/h4-7,9,11,14,18H,8,10H2,1-3H3/t14-,15-/m0/s1
InChIKey
NMFBGBYZBOKIGQ-GJZGRUSLSA-N
Compound name
N-(hydroxymethyl)-N-[(2S,4S)-2-methyl-2-(4-propan-2-ylphenyl)-1,3-dioxolan-4-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.1
[M+Na]+ 302.13628 170.7
[M-H]- 278.13978 173.0
[M+NH4]+ 297.18088 181.7
[M+K]+ 318.11022 171.8
[M+H-H2O]+ 262.14432 159.2
[M+HCOO]- 324.14526 185.2
[M+CH3COO]- 338.16091 201.9
[M+Na-2H]- 300.12173 167.9
[M]+ 279.14651 167.9
[M]- 279.14761 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.